Information card for entry 2223339

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Nitrophenyl)-3-phenylprop-2-en-1-one
• Formula: C15 H11 N O3
• Calculated formula: C15 H11 N O3
• SMILES: O=C(/C=C/c1ccccc1)c1ccc(N(=O)=O)cc1
• Title of publication: (<i>E</i>)-1-(4-Nitrophenyl)-3-phenylprop-2-en-1-one
• Authors of publication: Jing, Lin-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2510
• a: 6.2139 ± 0.001 Å
• b: 13.159 ± 0.002 Å
• c: 14.45 ± 0.003 Å
• α: 90°
• β: 92.106 ± 0.003°
• γ: 90°
• Cell volume: 1180.8 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes